methyl 5-[4-[2-(cyclohexylamino)ethanoylamino]phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate

Systemtic Name: methyl 5-[4-[2-(cyclohexylamino)ethanoylamino]phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate Openeye Name: methyl 5-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoate CAS Name: 5-[4-[[2-(cyclohexylamino)-1-oxoethyl]amino]phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 5-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)pent-4-ynoate Traditional Name: 5-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoic acid methyl ester Formula: C32H40N2O5 MolecularWeight: 532.6704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC=C(C=C2)NC(=O)CNC3CCCCC3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC=C(C=C2)NC(=O)CNC3CCCCC3)OC4CCCC4

InChI

InChI=1S/C32H40N2O5/c1-37-29-19-16-24(20-30(29)39-28-10-6-7-11-28)25(21-32(36)38-2)15-12-23-13-17-27(18-14-23)34-31(35)22-33-26-8-4-3-5-9-26/h13-14,16-20,25-26,28,33H,3-11,21-22H2,1-2H3,(H,34,35)